| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 32 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.17 | 11.7 | -60.76 | 0 | 7 | -1 | 87 | 450.54 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 12.18 | -74.13 | 1 | 7 | 0 | 89 | 451.548 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 11.36 | -49.63 | 2 | 7 | 1 | 86 | 452.556 | 10 | ↓ |
